Crystallography Open Database

Information card for entry 7709441

Preview

Coordinates	7709441.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Uranyl phen
Formula	C37 N6 O12.5 U3
Calculated formula	C37 N6 O12.5 U3
SMILES	[U]123(O[U]45([O]2[U]2(O3)(=O)(=O)([O]=CO4)[n]3c4c6[n]2cccc6ccc4ccc3)(=O)(=O)[n]2cccc3c2c2[n]5cccc2cc3)(=O)(=O)[n]2cccc3c2c2[n]1cccc2cc3.O.O
Title of publication	Unveiling the new function of uranyl molecular clusters as fluorometric sensors for UV and X-ray dosimetry.
Authors of publication	Lu, Huangjie; Zheng, Zhaofa; Qiu, Jie; Qian, Yuan; Wang, Jian-Qiang; Lin, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3041 - 3045
a	11.781 ± 0.004 Å
b	12.086 ± 0.005 Å
c	18.056 ± 0.007 Å
α	93.371 ± 0.013°
β	95.937 ± 0.012°
γ	104.737 ± 0.012°
Cell volume	2463.3 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7709441.cif
273370	2022-03-05	cif/ Updating files of 7709440, 7709441 Original log message: Adding full bibliography for 7709440--7709441.cif.	7709441.cif
272860	2022-02-09	cif/ Adding structures of 7709440, 7709441 via cif-deposit CGI script.	7709441.cif